N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide

C18H14ClN3O3 — CID 35931956

IUPACN'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O3/c1-11-15(20-18(25-11)12-7-3-2-4-8-12)17(24)22-21-16(23)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyKBGUXGUJCXDARR-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.38
Rot. Bonds3

About N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide

N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide (PubChem CID 35931956) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide
PubChem CID35931956
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O3/c1-11-15(20-18(25-11)12-7-3-2-4-8-12)17(24)22-21-16(23)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyKBGUXGUJCXDARR-UHFFFAOYSA-N
XLogP3.38
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 90882730
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26735908
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119223590
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727433
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 75429021
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 46480430
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 24552817

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide (CID 35931956) is N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide is Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide?
The InChIKey is KBGUXGUJCXDARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-11-15(20-18(25-11)12-7-3-2-4-8-12)17(24)22-21-16(23)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide?
N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide has a molecular weight of 355.78 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 35931956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).